3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C16H23IN2 — CID 79926226

IUPAC3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1c1ccc(I)cc1
InChIInChI=1S/C16H23IN2/c1-2-14-11-18-10-4-3-5-16(18)12-19(14)15-8-6-13(17)7-9-15/h6-9,14,16H,2-5,10-12H2,1H3
InChIKeyMAHBFYLCIDBCAW-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.74
Rot. Bonds2

About 3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79926226) has the molecular formula C16H23IN2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79926226
Molecular FormulaC16H23IN2
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC Name3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1c1ccc(I)cc1
InChIInChI=1S/C16H23IN2/c1-2-14-11-18-10-4-3-5-16(18)12-19(14)15-8-6-13(17)7-9-15/h6-9,14,16H,2-5,10-12H2,1H3
InChIKeyMAHBFYLCIDBCAW-UHFFFAOYSA-N
XLogP3.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79926226) is 3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCC1CN2CCCCC2CN1c1ccc(I)cc1.
What is the InChIKey of 3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is MAHBFYLCIDBCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2/c1-2-14-11-18-10-4-3-5-16(18)12-19(14)15-8-6-13(17)7-9-15/h6-9,14,16H,2-5,10-12H2,1H3.
What are the key properties of 3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 370.28 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79926226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).